CID 3002925

Ethyl 2-(2-cyclohexyl-4-quinolyl)acetate

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCOC(=O)CC1=CC(=NC2=CC=CC=C21)C3CCCCC3
InChI
InChI=1S/C19H23NO2/c1-2-22-19(21)13-15-12-18(14-8-4-3-5-9-14)20-17-11-7-6-10-16(15)17/h6-7,10-12,14H,2-5,8-9,13H2,1H3
InChIKey
BCRVRVMKOJUIDN-UHFFFAOYSA-N
Compound name
ethyl 2-(2-cyclohexylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 171.9
[M+Na]+ 320.162098 176.2
[M-H]- 296.165604 176.6
[M+NH4]+ 315.206703 186.2
[M+K]+ 336.136038 171.9
[M+H-H2O]+ 280.170140 162.5
[M+HCOO]- 342.171081 188.2
[M+CH3COO]- 356.186731 204.0
[M+Na-2H]- 318.147546 174.7
[M]+ 297.17233142 169.6
[M]- 297.17342858 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.